4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine

C17H24ClN5O — CID 142876097

IUPAC4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCC(C)Nc1nc(C)nc(Nc2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C17H24ClN5O/c1-5-6-7-11(2)19-16-20-12(3)21-17(23-16)22-13-8-9-15(24-4)14(18)10-13/h8-11H,5-7H2,1-4H3,(H2,19,20,21,22,23)
InChIKeyUHCGVQIFYGFTJU-UHFFFAOYSA-N
MW349.87 g/mol
LogP4.58
Rot. Bonds8

About 4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine

4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 142876097) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID142876097
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCC(C)Nc1nc(C)nc(Nc2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C17H24ClN5O/c1-5-6-7-11(2)19-16-20-12(3)21-17(23-16)22-13-8-9-15(24-4)14(18)10-13/h8-11H,5-7H2,1-4H3,(H2,19,20,21,22,23)
InChIKeyUHCGVQIFYGFTJU-UHFFFAOYSA-N
XLogP4.58
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

3-chloro-4-methoxy-N-nonan-2-ylaniline
CID 43129722
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 157445114
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
4-N-(3-chloro-4-methoxyphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868147
N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 163936403
4-methoxy-3-methyl-N-nonan-2-ylaniline
CID 55193321
6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846848
6-N-(3-chloro-4-methoxyphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875685
N-hexan-2-yl-2-methoxy-5-methylaniline
CID 43761107
3-chloro-N-hex-5-en-2-yl-4-methoxyaniline
CID 104583800
4-ethyl-N-(4-methoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 143126757

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine (CID 142876097) is 4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine is CCCCC(C)Nc1nc(C)nc(Nc2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UHCGVQIFYGFTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O/c1-5-6-7-11(2)19-16-20-12(3)21-17(23-16)22-13-8-9-15(24-4)14(18)10-13/h8-11H,5-7H2,1-4H3,(H2,19,20,21,22,23).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine?
4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 349.87 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-2-N-hexan-2-yl-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 142876097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).